2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(4-pentoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-3-[(4-pentoxyphenyl)carbonylamino]propanoic acid Openeye Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4-pentoxybenzoyl)amino]propanoic acid CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo-(4-pentoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4-pentoxybenzoyl)amino]propanoic acid Traditional Name: 3-[(4-amoxybenzoyl)amino]-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C30H32ClN3O7 MolecularWeight: 582.04398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

InChI

InChI=1S/C30H32ClN3O7/c1-2-3-4-14-41-23-11-8-20(9-12-23)27(36)33-18-26(30(39)40)34-29(38)24-13-10-21(16-25(24)31)28(37)32-17-19-6-5-7-22(35)15-19/h5-13,15-16,26,35H,2-4,14,17-18H2,1H3,(H,32,37)(H,33,36)(H,34,38)(H,39,40)